5,7-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine

C9H10Cl2N2O — CID 82231483

IUPAC5,7-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine
SMILESCN1CCOc2cc(Cl)c(N)c(Cl)c21
InChIInChI=1S/C9H10Cl2N2O/c1-13-2-3-14-6-4-5(10)8(12)7(11)9(6)13/h4H,2-3,12H2,1H3
InChIKeyDCEBAAMFUXBDLY-UHFFFAOYSA-N
MW233.10 g/mol
LogP2.40
Rot. Bonds

About 5,7-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine

5,7-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine (PubChem CID 82231483) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is 5,7-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine.

Molecular Properties

Compound Name5,7-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine
PubChem CID82231483
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name5,7-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine
SMILESCN1CCOc2cc(Cl)c(N)c(Cl)c21
InChIInChI=1S/C9H10Cl2N2O/c1-13-2-3-14-6-4-5(10)8(12)7(11)9(6)13/h4H,2-3,12H2,1H3
InChIKeyDCEBAAMFUXBDLY-UHFFFAOYSA-N
XLogP2.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)methanol
CID 177336822
4,5,7-trimethyl-2,3-dihydro-1,4-benzoxazine
CID 82229725
6-chloro-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 171788147
5,7-dichloro-4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazine
CID 171580460
4-methyl-2,3-dihydrothieno[3,2-b][1,4]oxazin-6-amine
CID 98774331
1-(5-amino-4-methyl-7-nitro-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol
CID 177352307
2-(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)ethanol;2-chlorobenzene-1,4-diamine
CID 158828990
7-bromo-6-chloro-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 178157365
5-bromo-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 83823671
6,8-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 82230773
8-amino-7-chloro-4-[2-(diethylamino)ethyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 14116962
6-amino-5,7-dichloro-4H-1,4-benzoxazin-3-one
CID 82231475

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine?
The IUPAC name of 5,7-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine (CID 82231483) is 5,7-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine.
What is the SMILES notation for 5,7-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine?
The canonical SMILES for 5,7-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine is CN1CCOc2cc(Cl)c(N)c(Cl)c21.
What is the InChIKey of 5,7-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine?
The InChIKey is DCEBAAMFUXBDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c1-13-2-3-14-6-4-5(10)8(12)7(11)9(6)13/h4H,2-3,12H2,1H3.
What are the key properties of 5,7-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine?
5,7-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine has a molecular weight of 233.10 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine is sourced from PubChem (CID 82231483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).